N-cyclopentyl-3-(3-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3-fluorophenyl)-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C27H23FN4O4S MolecularWeight: 518.559323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=CC=C5)F

InChI

InChI=1S/C27H23FN4O4S/c28-19-6-4-9-21(15-19)31-26(34)23-12-11-18(25(33)29-20-7-1-2-8-20)14-24(23)30-27(31)37-16-17-5-3-10-22(13-17)32(35)36/h3-6,9-15,20H,1-2,7-8,16H2,(H,29,33)